[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol

C17H11F3N4O2S — CID 45274826

IUPAC[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ncccc3F)cc12
InChIInChI=1S/C17H11F3N4O2S/c18-8-2-1-5-22-12(8)13(25)11-6-7-15(21)23-16(24-17(7)27-11)10-4-3-9(26-10)14(19)20/h1-6,13-14,25H,(H2,21,23,24)
InChIKeyOHFKRGQCKKVVDW-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.09
Rot. Bonds4

About [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol

[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol (PubChem CID 45274826) has the molecular formula C17H11F3N4O2S and a molecular weight of 392.36 g/mol. Its IUPAC name is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol
PubChem CID45274826
Molecular FormulaC17H11F3N4O2S
Molecular Weight392.36 g/mol
Exact Mass392.06
IUPAC Name[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol
SMILESNc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ncccc3F)cc12
InChIInChI=1S/C17H11F3N4O2S/c18-8-2-1-5-22-12(8)13(25)11-6-7-15(21)23-16(24-17(7)27-11)10-4-3-9(26-10)14(19)20/h1-6,13-14,25H,(H2,21,23,24)
InChIKeyOHFKRGQCKKVVDW-UHFFFAOYSA-N
XLogP4.09
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol?
The IUPAC name of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol (CID 45274826) is [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol is Nc1nc(-c2ccc(C(F)F)o2)nc2sc(C(O)c3ncccc3F)cc12.
What is the InChIKey of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol?
The InChIKey is OHFKRGQCKKVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2S/c18-8-2-1-5-22-12(8)13(25)11-6-7-15(21)23-16(24-17(7)27-11)10-4-3-9(26-10)14(19)20/h1-6,13-14,25H,(H2,21,23,24).
What are the key properties of [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol?
[4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol has a molecular weight of 392.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[5-(difluoromethyl)furan-2-yl]thieno[2,3-d]pyrimidin-6-yl]-(3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 45274826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).